smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CCOCCOC(=O)[C@@H](c2ccccc2)[N+]2(C)CCCCC2)CCOCC1 ZINC000033878938 717122863 /nfs/dbraw/zinc/12/28/63/717122863.db2.gz CJKZBKILKQYVTL-JOCHJYFZSA-N 2 0 406.567 2.395 10 30 HEEERP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1 ZINC000328603466 569417091 /nfs/dbraw/zinc/41/70/91/569417091.db2.gz GCGJWGDLHAFXQN-NRFANRHFSA-N 2 0 406.534 2.012 10 30 HEEERP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](n2ncc(N3CC[NH+](C)CC3)cc2=O)C1 ZINC000328603468 569417021 /nfs/dbraw/zinc/41/70/21/569417021.db2.gz GCGJWGDLHAFXQN-OAQYLSRUSA-N 2 0 406.534 2.012 10 30 HEEERP C[N+]1(CCOCCOC(=O)[C@H](c2ccccc2)[N+]2(C)CCCCC2)CCOCC1 ZINC000033878939 717123018 /nfs/dbraw/zinc/12/30/18/717123018.db2.gz CJKZBKILKQYVTL-QFIPXVFZSA-N 2 0 406.567 2.395 10 30 HEEERP